ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -1510.72804330 Eh

Energy Value Units
HF -1510.7280433 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.7474 0.0281 7.6498 7.8469

Quadrupole moment

XX YY ZZ XY XZ YZ
-143.1844 -154.6876 -57.1897 4.2293 28.0447 9.6569

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